2-[[(3R)-4-hexadecylsulfanyl-3-methoxy-butyl]-oxidanyl-phosphoryl]oxyethyl-trimethyl-azanium

Systemtic Name: 2-[[(3R)-4-hexadecylsulfanyl-3-methoxy-butyl]-oxidanyl-phosphoryl]oxyethyl-trimethyl-azanium Openeye Name: 2-[[(3R)-4-hexadecylsulfanyl-3-methoxy-butyl]-hydroxy-phosphoryl]oxyethyl-trimethyl-ammonium CAS Name: 2-[[(3R)-4-(hexadecylthio)-3-methoxybutyl]-hydroxyphosphoryl]oxyethyl-trimethylammonium IUPAC Name: 2-[[(3R)-4-hexadecylsulfanyl-3-methoxybutyl]-hydroxyphosphoryl]oxyethyl-trimethylazanium Traditional Name: 2-[[(3R)-4-(cetylthio)-3-methoxy-butyl]-hydroxy-phosphoryl]oxyethyl-trimethyl-ammonium Formula: C26H57NO4PS+ MolecularWeight: 510.773841

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCSCC(CCP(=O)(O)OCC[N+](C)(C)C)OC

Isomeric SMILES

CCCCCCCCCCCCCCCCSC[C@@H](CCP(=O)(O)OCC[N+](C)(C)C)OC

InChI

InChI=1S/C26H56NO4PS/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-24-33-25-26(30-5)20-23-32(28,29)31-22-21-27(2,3)4/h26H,6-25H2,1-5H3/p+1/t26-/m1/s1